3-Methoxy-4-propoxybenzonitrile
TL;DR: 3-Methoxy-4-propoxybenzonitrile (CAS 60758-85-2) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-4-propoxybenzonitrile
Also Known As: 3-methoxy-4-propoxybenzonitrile, 3-Methoxy-4-n-propoxybenzonitrile, 2-Chloro-4-fluorobenzylamine, 3-methoxy-4-propoxy-benzonitrile, 3-methoxy-4-propoxybenzenecarbonitrile
| Molecular Formula | C11H13NO2 |
|---|---|
| Molecular Weight | 191.09 g/mol |
| LogP | 2.35568 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.09464 |
| Heavy Atoms | 14 |
| Complexity | 341.63104 |
Chemical Identifiers
| CAS Number | 60758-85-2 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1)C#N)OC |
Product Overview
3-Methoxy-4-propoxybenzonitrile (CAS 60758-85-2), with molecular formula C11H13NO2 and molecular weight 191.09 g/mol. IUPAC: 3-methoxy-4-propoxybenzonitrile.
Chemical Property Profile of 3-Methoxy-4-propoxybenzonitrile
Property Insights of 3-Methoxy-4-propoxybenzonitrile
The XLogP value of 2.35568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-4-propoxybenzonitrile. With a topological polar surface area (TPSA) of 42.25 Ų, 3-Methoxy-4-propoxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxy-4-propoxybenzonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Methoxy-4-propoxybenzonitrile?
The CAS number of 3-Methoxy-4-propoxybenzonitrile is 60758-85-2.
What is the molecular formula of 3-Methoxy-4-propoxybenzonitrile?
The molecular formula of 3-Methoxy-4-propoxybenzonitrile is C11H13NO2.
What is the molecular weight of 3-Methoxy-4-propoxybenzonitrile?
The molecular weight of 3-Methoxy-4-propoxybenzonitrile is 191.09 g/mol.
Where can I buy 3-Methoxy-4-propoxybenzonitrile?
You can request a quote for 3-Methoxy-4-propoxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-4-propoxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-4-propoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.